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core::scoring::SecondaryStructureWeights Class Reference

Holds weights and flags for configuring a SecondaryStructureEnergy evaluation. More...

#include <SecondaryStructureWeights.hh>

Inheritance diagram for core::scoring::SecondaryStructureWeights:
Inheritance graph
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Public Member Functions

 SecondaryStructureWeights ()
 default constructor More...
 
 SecondaryStructureWeights (SecondaryStructureWeights const &s)
 copy constructor More...
 
 ~SecondaryStructureWeights () override
 default destructor More...
 
SecondaryStructureWeightsoperator= (SecondaryStructureWeights const &s)
 copy assignment More...
 
void setup_parallel_antiparallel_weights (bool const &randomize_weights=false)
 setup parallel/antiparallel weights according to scheme More...
 
Real const & get_parallel_weight () const
 parallel strand weight More...
 
Real const & get_antiparallel_weight () const
 antiparallel strand weight More...
 
int get_ss_lowstrand () const
 
int get_ss_cutoff () const
 
Real const & get_localstrandpair_penalty () const
 local strand pair penalty More...
 
Real const & get_seq_sep_scale () const
 sequence separation scale More...
 
Real const & get_max_strand_dist_cutoff () const
 max strand distance cutoff More...
 
Real const & get_strand_dist_cutoff () const
 strand distance cutoff More...
 
bool const & get_stretch_strand_dist_cutoff () const
 stretching the strand distance cutoff? More...
 
bool const & get_handedness_score_flag () const
 using handedness score? More...
 
void set_parallel_weight (Real const &weight)
 set parallel strand weight More...
 
void set_antiparallel_weight (Real const &weight)
 set antiparallel strand weight More...
 
void set_ss_lowstrand (int const setting)
 
void set_ss_cutoff (int const setting)
 
void set_localstrandpair_penalty (Real const &penalty)
 set local strand pair penalty More...
 
void set_seq_sep_scale (Real const &scale)
 set sequence separation scale More...
 
void set_max_strand_dist_cutoff (Real const &cutoff)
 set max strand distance cutoff More...
 
void set_strand_dist_cutoff (Real const &cutoff)
 set strand distance cutoff More...
 
void set_stretch_strand_dist_cutoff (bool const &flag)
 stretch the strand distance cutoff More...
 
void set_handedness_score_flag (bool const &flag)
 use the handedness score More...
 

Private Member Functions

void initialize ()
 initialize to default values, also load proper data bins from external files More...
 

Private Attributes

Real parallel_weight_
 
Real antiparallel_weight_
 
int ss_lowstrand_
 
int ss_cutoff_
 
Real localstrandpair_penalty_
 
Real seq_sep_scale_
 
Real max_strand_dist_cutoff_
 
Real strand_dist_cutoff_
 
bool stretch_strand_dist_cutoff_
 
bool handedness_score_flag_
 

Friends

bool operator== (SecondaryStructureWeights const &a, SecondaryStructureWeights const &b)
 operator== More...
 

Detailed Description

Holds weights and flags for configuring a SecondaryStructureEnergy evaluation.

Constructor & Destructor Documentation

core::scoring::SecondaryStructureWeights::SecondaryStructureWeights ( )
inline

default constructor

References initialize().

core::scoring::SecondaryStructureWeights::SecondaryStructureWeights ( SecondaryStructureWeights const &  s)
inline

copy constructor

core::scoring::SecondaryStructureWeights::~SecondaryStructureWeights ( )
overridedefault

default destructor

Member Function Documentation

Real const& core::scoring::SecondaryStructureWeights::get_antiparallel_weight ( ) const
inline

antiparallel strand weight

References antiparallel_weight_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

bool const& core::scoring::SecondaryStructureWeights::get_handedness_score_flag ( ) const
inline

using handedness score?

References handedness_score_flag_.

Real const& core::scoring::SecondaryStructureWeights::get_localstrandpair_penalty ( ) const
inline

local strand pair penalty

References localstrandpair_penalty_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

Real const& core::scoring::SecondaryStructureWeights::get_max_strand_dist_cutoff ( ) const
inline

max strand distance cutoff

References max_strand_dist_cutoff_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

Real const& core::scoring::SecondaryStructureWeights::get_parallel_weight ( ) const
inline

parallel strand weight

References parallel_weight_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

Real const& core::scoring::SecondaryStructureWeights::get_seq_sep_scale ( ) const
inline

sequence separation scale

References seq_sep_scale_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

int core::scoring::SecondaryStructureWeights::get_ss_cutoff ( ) const
inline
int core::scoring::SecondaryStructureWeights::get_ss_lowstrand ( ) const
inline
Real const& core::scoring::SecondaryStructureWeights::get_strand_dist_cutoff ( ) const
inline

strand distance cutoff

References strand_dist_cutoff_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

bool const& core::scoring::SecondaryStructureWeights::get_stretch_strand_dist_cutoff ( ) const
inline

stretching the strand distance cutoff?

References stretch_strand_dist_cutoff_.

Referenced by core::scoring::SecondaryStructurePotential::sspair().

void core::scoring::SecondaryStructureWeights::initialize ( )
private
SecondaryStructureWeights& core::scoring::SecondaryStructureWeights::operator= ( SecondaryStructureWeights const &  s)
inline
void core::scoring::SecondaryStructureWeights::set_antiparallel_weight ( Real const &  weight)
inline

set antiparallel strand weight

References antiparallel_weight_.

Referenced by setup_parallel_antiparallel_weights().

void core::scoring::SecondaryStructureWeights::set_handedness_score_flag ( bool const &  flag)
inline

use the handedness score

References handedness_score_flag_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::set_localstrandpair_penalty ( Real const &  penalty)
inline

set local strand pair penalty

References localstrandpair_penalty_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::set_max_strand_dist_cutoff ( Real const &  cutoff)
inline

set max strand distance cutoff

References max_strand_dist_cutoff_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::set_parallel_weight ( Real const &  weight)
inline

set parallel strand weight

References parallel_weight_.

Referenced by setup_parallel_antiparallel_weights().

void core::scoring::SecondaryStructureWeights::set_seq_sep_scale ( Real const &  scale)
inline

set sequence separation scale

References seq_sep_scale_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::set_ss_cutoff ( int const  setting)
inline
void core::scoring::SecondaryStructureWeights::set_ss_lowstrand ( int const  setting)
inline
void core::scoring::SecondaryStructureWeights::set_strand_dist_cutoff ( Real const &  cutoff)
inline

set strand distance cutoff

References strand_dist_cutoff_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::set_stretch_strand_dist_cutoff ( bool const &  flag)
inline

stretch the strand distance cutoff

References stretch_strand_dist_cutoff_.

Referenced by initialize().

void core::scoring::SecondaryStructureWeights::setup_parallel_antiparallel_weights ( bool const &  randomize_weights = false)

setup parallel/antiparallel weights according to scheme

if not randomizing weights, all weights set to 1.0

References core::scoring::rg, set_antiparallel_weight(), and set_parallel_weight().

Referenced by initialize().

Friends And Related Function Documentation

bool operator== ( SecondaryStructureWeights const &  a,
SecondaryStructureWeights const &  b 
)
friend

operator==

Member Data Documentation

Real core::scoring::SecondaryStructureWeights::antiparallel_weight_
private
bool core::scoring::SecondaryStructureWeights::handedness_score_flag_
private
Real core::scoring::SecondaryStructureWeights::localstrandpair_penalty_
private
Real core::scoring::SecondaryStructureWeights::max_strand_dist_cutoff_
private
Real core::scoring::SecondaryStructureWeights::parallel_weight_
private
Real core::scoring::SecondaryStructureWeights::seq_sep_scale_
private
int core::scoring::SecondaryStructureWeights::ss_cutoff_
private
int core::scoring::SecondaryStructureWeights::ss_lowstrand_
private
Real core::scoring::SecondaryStructureWeights::strand_dist_cutoff_
private
bool core::scoring::SecondaryStructureWeights::stretch_strand_dist_cutoff_
private

The documentation for this class was generated from the following files: